Fork tensor-product states: Efficient multiorbital real-time DMFT solver

Daniel Bauernfeind*, Manuel Zingl, Robert Triebl, Markus Aichhorn, Hans Gerd Evertz

*Korrespondierende/r Autor/-in für diese Arbeit

Publikation: Beitrag in einer FachzeitschriftArtikelBegutachtung

Abstract

We present a tensor network especially suited for multi-orbital Anderson impurity models and as an impurity solver for multi-orbital dynamical mean-field theory (DMFT). The solver works directly on the real-frequency axis and yields high spectral resolution at all frequencies. We use a large number (O(100)) of bath sites and therefore achieve an accurate representation of the bath. The solver can treat full rotationally invariant interactions with reasonable numerical effort. We show the efficiency and accuracy of the method by a benchmark for the three-orbital test-bed material SrVO3. There we observe multiplet structures in the high-energy spectrum, which are almost impossible to resolve by other multi-orbital methods. The resulting structure of the Hubbard bands can be described as a broadened atomic spectrum with rescaled interaction parameters. Additional features emerge when U is increased. Finally, we show that our solver can be applied even to models with five orbitals. This impurity solver offers a new route to the calculation of precise real-frequency spectral functions of correlated materials.

Originalspracheenglisch
Aufsatznummer031013
FachzeitschriftPhysical Review X
Jahrgang7
Ausgabenummer3
DOIs
PublikationsstatusVeröffentlicht - 20 Juli 2017

ASJC Scopus subject areas

  • Physik und Astronomie (insg.)

Fields of Expertise

  • Advanced Materials Science

Treatment code (Nähere Zuordnung)

  • Basic - Fundamental (Grundlagenforschung)

Kooperationen

  • NAWI Graz

Fingerprint

Untersuchen Sie die Forschungsthemen von „Fork tensor-product states: Efficient multiorbital real-time DMFT solver“. Zusammen bilden sie einen einzigartigen Fingerprint.

Dieses zitieren